4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione

C34H20Cl8O2 — CID 122374961

IUPAC4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
SMILESO=C1C2C(C(=O)C3C1C(c1ccc(Cl)cc1Cl)C3c1ccc(Cl)cc1Cl)C(c1ccc(Cl)cc1Cl)C2c1ccc(Cl)cc1Cl
InChIInChI=1S/C34H20Cl8O2/c35-13-1-5-17(21(39)9-13)25-26(18-6-2-14(36)10-22(18)40)30-29(25)33(43)31-27(19-7-3-15(37)11-23(19)41)28(32(31)34(30)44)20-8-4-16(38)12-24(20)42/h1-12,25-32H
InChIKeyZNEWBZVRAZTMTE-UHFFFAOYSA-N
MW744.16 g/mol
LogP11.99
Rot. Bonds4

About 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione

4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione (PubChem CID 122374961) has the molecular formula C34H20Cl8O2 and a molecular weight of 744.16 g/mol. Its IUPAC name is 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione.

Molecular Properties

Compound Name4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
PubChem CID122374961
Molecular FormulaC34H20Cl8O2
Molecular Weight744.16 g/mol
Exact Mass739.90
IUPAC Name4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
SMILESO=C1C2C(C(=O)C3C1C(c1ccc(Cl)cc1Cl)C3c1ccc(Cl)cc1Cl)C(c1ccc(Cl)cc1Cl)C2c1ccc(Cl)cc1Cl
InChIInChI=1S/C34H20Cl8O2/c35-13-1-5-17(21(39)9-13)25-26(18-6-2-14(36)10-22(18)40)30-29(25)33(43)31-27(19-7-3-15(37)11-23(19)41)28(32(31)34(30)44)20-8-4-16(38)12-24(20)42/h1-12,25-32H
InChIKeyZNEWBZVRAZTMTE-UHFFFAOYSA-N
XLogP11.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.16
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2,4-dichlorophenyl)cyclobutan-1-one
CID 125483612
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
2-(2,4-dichlorophenyl)cyclopentan-1-one
CID 130164346
2-(2,4-dichlorophenyl)-3-phenyloxirane
CID 86087520
4,5,9,10-tetrakis(4-chlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374957
4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione
CID 90718788
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
(5R,6R)-5,6-dibromo-2-(2,4-dichlorophenyl)-1,3-dioxepane
CID 7032956
(4S)-4-(2,4-dichlorophenyl)-1,3-oxazinan-2-one
CID 171185910
3-bromo-5-(2,4-dichlorophenyl)cyclohex-2-en-1-one
CID 13248551
N-(2,4-dichlorophenyl)-N-methylformamide
CID 87333606
3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
CID 116864111

Frequently Asked Questions

What is the IUPAC name of 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione?
The IUPAC name of 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione (CID 122374961) is 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione.
What is the SMILES notation for 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione?
The canonical SMILES for 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione is O=C1C2C(C(=O)C3C1C(c1ccc(Cl)cc1Cl)C3c1ccc(Cl)cc1Cl)C(c1ccc(Cl)cc1Cl)C2c1ccc(Cl)cc1Cl.
What is the InChIKey of 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione?
The InChIKey is ZNEWBZVRAZTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Cl8O2/c35-13-1-5-17(21(39)9-13)25-26(18-6-2-14(36)10-22(18)40)30-29(25)33(43)31-27(19-7-3-15(37)11-23(19)41)28(32(31)34(30)44)20-8-4-16(38)12-24(20)42/h1-12,25-32H.
What are the key properties of 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione?
4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione has a molecular weight of 744.16 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione is sourced from PubChem (CID 122374961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).